CID 3000745

2'-hydroxy-3-(2-mercapto-5-benzimidazolylsulfamyl)benzanilide

Structural Information

Molecular Formula
C20H16N4O4S2
SMILES
C1=CC=C(C(=C1)NC(=O)C2=CC(=CC=C2)S(=O)(=O)NC3=CC4=C(C=C3)NC(=S)N4)O
InChI
InChI=1S/C20H16N4O4S2/c25-18-7-2-1-6-16(18)21-19(26)12-4-3-5-14(10-12)30(27,28)24-13-8-9-15-17(11-13)23-20(29)22-15/h1-11,24-25H,(H,21,26)(H2,22,23,29)
InChIKey
ZDFZEZRSKBYDEV-UHFFFAOYSA-N
Compound name
N-(2-hydroxyphenyl)-3-[(2-sulfanylidene-1,3-dihydrobenzimidazol-5-yl)sulfamoyl]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

440.0613 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 441.06858 196.3
[M+Na]+ 463.05052 204.8
[M-H]- 439.05402 201.1
[M+NH4]+ 458.09512 203.7
[M+K]+ 479.02446 195.4
[M+H-H2O]+ 423.05856 189.5
[M+HCOO]- 485.05950 205.7
[M+CH3COO]- 499.07515 203.9
[M+Na-2H]- 461.03597 200.8
[M]+ 440.06075 197.0
[M]- 440.06185 197.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.